Package qsardes.descriptor.qsarwb

# Class QsarWBHBondAcceptorsCount

java.lang.Object
qsardes.descriptor.DescriptorHBondAcceptorsCount
qsardes.descriptor.qsarwb.QsarWBHBondAcceptorsCount

All Implemented Interfaces:
  `Descriptor`

public final class QsarWBHBondAcceptorsCount extends DescriptorHBondAcceptorsCount
Hydrogen bond acceptors count descriptors (QSAR-WB Descriptors).
Calculates hydrogens bond acceptors count descriptors.
Returns
nHBAcc - Number of hydrogen bond acceptors.
nHBAcc2 - Number of hydrogen bond acceptors (any oxygen; any nitrogen where the formal charge of the nitrogen is non-positive (i.e. formal charge smaller or equal to 0) except a non-aromatic nitrogen that is adjacent to an oxygen and aromatic ring, or an aromatic nitrogen with a hydrogen atom in a ring, or an aromatic nitrogen with 3 neighouring atoms in a ring, or a nitrogen with total bond order >=4; any fluorine).
nHBAcc3 - Number of hydrogen bond acceptors (any oxygen; any nitrogen where the formal charge of the nitrogen is non-positive (i.e. formal charge smaller or equal to 0) except a non-aromatic nitrogen that is adjacent to an oxygen and aromatic ring, or an aromatic nitrogen with a hydrogen atom in a ring, or an aromatic nitrogen with 3 neighouring atoms in a ring, or a nitrogen with total bond order >=4, or a nitrogen in an amide bond; any fluorine).
nHBAcc_Lipinski - Number of hydrogen bond acceptors (using Lipinski's definition: any nitrogen; any oxygen).

- ## Constructor Summary

  Constructors
  Constructor
  Description
  `QsarWBHBondAcceptorsCount()`

- ## Method Summary

  ### Methods inherited from class qsardes.descriptor.DescriptorHBondAcceptorsCount

  `get_descriptor_names, get_descriptor_type, get_descriptor_values, toString`

  ### Methods inherited from class java.lang.Object

  `clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait`

- ## Constructor Details

  - ### QsarWBHBondAcceptorsCount

    public QsarWBHBondAcceptorsCount()